6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4 — CID 113486283

IUPAC6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCC2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4/c1-5-15-11-9-12(17-13(16-11)10(2)3)18-14(4)7-6-8-14/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyRVLUVUUJLDTAJL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.39
Rot. Bonds5

About 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 113486283) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID113486283
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCC2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4/c1-5-15-11-9-12(17-13(16-11)10(2)3)18-14(4)7-6-8-14/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyRVLUVUUJLDTAJL-UHFFFAOYSA-N
XLogP3.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 113486283) is 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NC2(C)CCC2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RVLUVUUJLDTAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-15-11-9-12(17-13(16-11)10(2)3)18-14(4)7-6-8-14/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 113486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).